UCSF

ZINC37830565

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 9.71 -57.48 0 4 -1 60 268.377 9
Lo Low (pH 4.5-6) 2.81 7.74 -13.3 1 4 0 58 269.385 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )